[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C20H26N2O5/c1-4-26-17-12-15(8-9-16(17)25-3)19(24)27-14(2)18(23)22-20(13-21)10-6-5-7-11-20/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,22,23)/t14-/m1/s1